Basic information
- Standard SMILES
N#Cc1ccc(C(=O)Nc2csc([C@@]34COCC[C@H]3CSC(N)=N4)c2)nc1- InChIKey
LAOKNTCIMWLGDD-KPZWWZAWSA-N- Molecular formula
- C18H17N5O2S2
- Average molar mass
- 399.5 g/mol
Names & identifiers
- Preferred name
- N-[5-((4aR*,8aS*)-2-amino-4,4a,5,6-tetrahydro-7-oxa-3-thia-1-azanaphthalen-8a-yl)thiophen-3-yl]-5-cyanopyridine-2-carboxamide
- IUPAC
- N-[5-[(4aR,8aS)-2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]thiophen-3-yl]-5-cyanopyridine-2-carboxamide
Names & synonyms
SCHEMBL3300818LAOKNTCIMWLGDD-KPZWWZAWSA-NN-[5-((4aR*,8aS*)-2-amino-4,4a,5,6,8,8a-hexahydro-7-oxa-3-thia-1-azanaphthalen-8a-yl)thiophen-3-yl]-5-cyanopyridine-2-carboxamideN-[5-((4aR*,8aS*)-2-amino-4,4a,5,6-tetrahydro-7-oxa-3-thia-1-azanaphthalen-8a-yl)thiophen-3-yl]-5-cyanopyridine-2-carboxamide
Database identifiers
- PubChem CID
- 68587014
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 665
Related reactions
1 records
Compound notes
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